methyl 2-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate CAS Name: 2-[[2-[5-[(3S)-3-dithiolanyl]-1-oxopentoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[5-[(3S)-dithiolan-3-yl]pentanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C18H23NO5S2/c1-23-18(22)14-7-3-4-8-15(14)19-16(20)12-24-17(21)9-5-2-6-13-10-11-25-26-13/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,20)/t13-/m0/s1